[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

C17H14FN5O3 — CID 25162093

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O3/c1-11(16(24)20-15-5-3-2-4-14(15)18)26-17(25)12-6-8-13(9-7-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24)
InChIKeyVAJNOUPEZLCNGA-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.99
Rot. Bonds5

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (PubChem CID 25162093) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
PubChem CID25162093
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O3/c1-11(16(24)20-15-5-3-2-4-14(15)18)26-17(25)12-6-8-13(9-7-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24)
InChIKeyVAJNOUPEZLCNGA-UHFFFAOYSA-N
XLogP1.99
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 2355810
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535914
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432
[2-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9509566
2-(4-Fluorophenyl)-2-oxoethyl 3-(1H-tetrazol-1-yl)benzoate
CID 16514762
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 16615029
[1-(2-Chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18080237
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18080722
[2-(4-Fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 24983162
[2-Oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 4831935

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (CID 25162093) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is CC(OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is VAJNOUPEZLCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-11(16(24)20-15-5-3-2-4-14(15)18)26-17(25)12-6-8-13(9-7-12)23-10-19-21-22-23/h2-11H,1H3,(H,20,24).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 355.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 25162093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).